Critical Cavities and Homogeneous Bubble Nucleation in Superheated Liquids

普渡大学的David S.Corti在理论和计算化学项目的支持下，开发了过热液体中均匀气泡成核的分子理论。各种理论和分子模拟方法被用来研究几种模型液体中空穴和气泡的形成。其目标是提供对液体中一级相变的更好的基于分子的理解。目前正在进行研究，以了解过热液体中预测的不稳定轨迹的统计力学来源，以及空穴产生和气泡形成之间的联系。这些信息将导致对液体中气泡成核率的准确定量预测，并将作为修改目前使用的现象学方法的指南。这项工作对增加我们对液态和相变的理解产生了更广泛的影响，这在材料加工和制造中具有相关性。参与这项研究的学生在统计力学、热力学和分子模拟方面有坚实的基础。研究结果为基于分子的气泡成核描述的课堂讨论提供了材料。这些讨论将前沿研究问题带到了来自不同研究领域的本科生的掌握之中。

David S. Corti of Purdue University is supported by the Theoretical and Computational Chemistry Program to develop a molecular theory of homogeneous bubble nucleation in superheated liquids. A variety of theoretical and molecular simulation methods are in use to study cavity and bubble formation in several model liquids. The goal is to provide an improved molecular-based understanding of first-order phase transitions in liquids. Investigations are underway to understand the statistical mechanical origin of the locus of instability predicted in superheated liquids, and the connection between cavity creation and bubble formation. This information is leading to accurate quantitative predictions of bubble nucleation rates in liquids, and will serve as a guide to modifications of phenomenological approaches currently in use. This work is having a broader impact in increasing our understanding of the liquid phase and phase transitions, which has relevance in material processing and manufacturing. Students involved in this research receive a solid foundation in statistical mechanics, thermodynamics and molecular simulation. Results of the research provide material for classroom discussions of the molecular-based description of bubble nucleation. These discussions bring cutting-edge research problems within the grasp of undergraduates from diverse areas of study.